<div dir="ltr">Your approach is correct. I do not see anything wrong. When I run "x spaghetti", this is what I see<div><pre style="font-family:Courier,fixed;color:rgb(0,0,0);font-size:medium;background-color:rgb(240,240,240)">
SPAGH: Read band energy from case.output1
number of k-points read in case.vector= 51
SPAGH END
0.043u 0.026s 0:00.07 85.7% 0+0k 0+0io 0pf+0w</pre></div><div class="gmail_extra">I am curious, why don't you have the 1st line? Is *.output1 in place? Other than that: no idea. Sorry.</div><div class="gmail_extra"><br>
</div><div class="gmail_extra">Oleg</div><div class="gmail_extra"><br><div class="gmail_quote">On Tue, Sep 10, 2013 at 11:34 AM, sikandar azam <span dir="ltr"><<a href="mailto:sikandar_hu@yahoo.com" target="_blank">sikandar_hu@yahoo.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div><div style="font-size:12pt;font-family:times new roman,new york,times,serif"><div style="font-size:12pt"><span>Thanks sir </span><span style="font-family:Arial;font-size:13px">Oleg Rubel, </span></div>
<div style="font-style:normal;font-size:13px;background-color:transparent;font-family:Arial"><span style="font-family:Arial;font-size:13px">I alraedy run the command</span></div><div style="font-style:normal;background-color:transparent;font-family:Arial">
<span style="font-size:13px;font-family:Arial;font-weight:bold"> </span><span><span style="font-weight:bold;font-size:24px">"x lapw1 -band"</span><span style="font-size:12pt">. </span></span></div><div style="font-style:normal;font-size:12pt;background-color:transparent;font-family:'times new roman','new york',times,serif">
<span style="font-size:12pt">And after that i edited the </span></div><div style="font-style:normal;background-color:transparent;font-family:'times new roman','new york',times,serif"><span style="font-weight:bold;font-size:24px">edit.case.insp</span></div>
<div style="font-style:normal;font-size:12pt;background-color:transparent;font-family:'times new roman','new york',times,serif"><span style="font-size:12pt"> and after that when i run the </span></div><div style="font-style:normal;background-color:transparent;font-family:'times new roman','new york',times,serif">
<span style="font-weight:bold;font-size:24px">x spaghetti</span></div><div style="font-style:normal;font-size:12pt;background-color:transparent;font-family:'times new roman','new york',times,serif"><span style="font-size:12pt"> so i get
this </span></div><div style="font-size:12pt"><span style="background-color:rgb(240,240,240)">Commandline: </span><b style="font-size:medium;background-color:rgb(240,240,240)">x spaghetti -c</b><br style="font-size:medium;background-color:rgb(240,240,240)">
<span style="font-size:medium;background-color:rgb(240,240,240)">Program input is: </span><b style="font-size:medium;background-color:rgb(240,240,240)">""</b><span style="font-size:medium;background-color:rgb(240,240,240)"> </span><br style="background-color:rgb(240,240,240)">
<br style="font-size:medium;background-color:rgb(240,240,240)"></div><div style="font-size:12pt;background-color:transparent"><span style="font-size:12pt"></span></div><table border="1" style="font-size:12pt;border:0px;padding:2px;background-color:rgb(240,240,240)">
<tbody><tr style="border:0px;padding:0px"><td style="border:0px;padding:0px"><pre> number of k-points read in case.vector= 251
forrtl: severe (174): SIGSEGV, segmentation fault occurred
0.279u 0.069s 0:00.51 64.7% 0+0k 0+0io 12pf+0w
error: command /home/azam/WIEN2k111-lopw/spaghetti spaghetti.def failed</pre></td></tr></tbody></table><div style="font-size:12pt"><br></div> <div style="font-size:12pt;font-family:'times new roman','new york',times,serif">
<div style="font-family:'times new roman','new york',times,serif;font-size:12pt"> <div dir="ltr"> <hr size="1"> <font face="Arial"> <b><span style="font-weight:bold">From:</span></b> Oleg Rubel <<a href="mailto:orubel@lakeheadu.ca" target="_blank">orubel@lakeheadu.ca</a>><br>
<b><span style="font-weight:bold">To:</span></b> A Mailing list for WIEN2k users <<a href="mailto:wien@zeus.theochem.tuwien.ac.at" target="_blank">wien@zeus.theochem.tuwien.ac.at</a>> <br> <b><span style="font-weight:bold">Sent:</span></b> Tuesday, September 10, 2013 5:28 PM<br>
<b><span style="font-weight:bold">Subject:</span></b> Re: [Wien] Regarding band structure<br> </font> </div> <div><br><div><div dir="ltr">Did you run "x lapw1 -band" before? If not, the reason can be a mismatch between
your k-list and the vector file.<div><br></div><div>I do not want to discourage you, but the band structure for large sells (supercells) does not look very pretty. The density of states (especially PDOS) can be more informative.</div>
<div><br></div><div>Oleg</div><div><br><div>On Tue, Sep 10, 2013 at 8:43 AM, sikandar azam <span dir="ltr"><<a rel="nofollow" href="mailto:sikandar_hu@yahoo.com" target="_blank">sikandar_hu@yahoo.com</a>></span> wrote:<br>
<blockquote style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div><div style="font-size:12pt;font-family:'times new roman','new york',times,serif"><div>Hello all</div><div>I am facing the problem in plotting the band structure, especially for big compounds like biological compounds.</div>
<div>I get this problem</div><div><span style="font-family:Helvetica,Arial,sans-serif;font-size:16px;background-color:rgb(240,240,240)">Commandline: </span><b style="font-family:Helvetica,Arial,sans-serif;font-size:medium;background-color:rgb(240,240,240)">x spaghetti -c</b><br style="font-family:Helvetica,Arial,sans-serif;font-size:medium;background-color:rgb(240,240,240)">
<span style="font-family:Helvetica,Arial,sans-serif;font-size:medium;background-color:rgb(240,240,240)">Program input is: </span><b style="font-family:Helvetica,Arial,sans-serif;font-size:medium;background-color:rgb(240,240,240)">""</b><span style="font-family:Helvetica,Arial,sans-serif;font-size:medium;background-color:rgb(240,240,240)"> </span><br style="font-family:Helvetica,Arial,sans-serif;font-size:16px;background-color:rgb(240,240,240)">
<br style="font-family:Helvetica,Arial,sans-serif;font-size:medium;background-color:rgb(240,240,240)"></div><table border="1" style="font-family:Helvetica,Arial,sans-serif;border:0px;padding:2px;background-color:rgb(240,240,240)">
<tbody><tr style="border:0px;padding:0px"><td style="border:0px;padding:0px"><pre style="font-family:Courier,fixed"> number of k-points read in case.vector= 251
forrtl: severe (174): SIGSEGV, segmentation fault occurred
0.279u 0.069s 0:00.51 64.7% 0+0k 0+0io 12pf+0w
error: command /home/azam/WIEN2k111-lopw/spaghetti spaghetti.def failed
</pre><div>please some one help me.</div><div>thanks in advance</div><div>with regards</div><div>sikander Azam</div></td></tr></tbody></table></div></div><br>_______________________________________________<br>
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